CID 131458867

1864801-84-2

Structural Information

Molecular Formula
C12H19BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)S(=O)(=O)N)N
InChI
InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)8-5-6-10(9(14)7-8)20(15,16)17/h5-7H,14H2,1-4H3,(H2,15,16,17)
InChIKey
VWVORVHBPHCYAK-UHFFFAOYSA-N
Compound name
2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

298.11584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12312 163.3
[M+Na]+ 321.10506 171.8
[M+NH4]+ 316.14966 172.0
[M+K]+ 337.07900 165.8
[M-H]- 297.10856 167.7
[M+Na-2H]- 319.09051 169.3
[M]+ 298.11529 166.4
[M]- 298.11639 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe